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Ligand

NameSMR000060129
Molecular formulaC19H20N2O5
IUPAC nameethyl 5-[5-(2,4-dihydroxy-5-propylphenyl)-1H-pyrazol-4-yl]furan-2-carboxylate
Molecular weight356.378
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.8
SynonymsAKOS001036615
ethyl 5-[3-(4-hydroxy-6-oxo-3-propylcyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]furan-2-carboxylate
5-[(3Z)-3-(4-hydroxy-6-oxo-3-propyl-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]-2-furancarboxylic acid ethyl ester
CHEMBL1541596
MLS000055604
[ Show all ]
Inchi KeyHKTSJOVFAVYHKL-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20N2O5/c1-3-5-11-8-12(15(23)9-14(11)22)18-13(10-20-21-18)16-6-7-17(26-16)19(24)25-4-2/h6-10,22-23H,3-5H2,1-2H3,(H,20,21)
PubChem CID984148
ChEMBLCHEMBL1541596
IUPHARN/A
BindingDB61793
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
560937Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
560934Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
560935Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
560936Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
560938Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
560939Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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